3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid

C11H23NO3 — CID 79623675

IUPAC3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid
SMILESCCC(O)(CC)CNCC(C)(C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-11(15,6-2)8-12-7-10(3,4)9(13)14/h12,15H,5-8H2,1-4H3,(H,13,14)
InChIKeyKUAPJZNVBGLXRX-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.24
Rot. Bonds7

About 3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid

3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 79623675) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid
PubChem CID79623675
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid
SMILESCCC(O)(CC)CNCC(C)(C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-11(15,6-2)8-12-7-10(3,4)9(13)14/h12,15H,5-8H2,1-4H3,(H,13,14)
InChIKeyKUAPJZNVBGLXRX-UHFFFAOYSA-N
XLogP1.24
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid (CID 79623675) is 3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid is CCC(O)(CC)CNCC(C)(C)C(=O)O.
What is the InChIKey of 3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is KUAPJZNVBGLXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-11(15,6-2)8-12-7-10(3,4)9(13)14/h12,15H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid?
3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79623675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).